(2,5-dimethylthiophen-3-yl)-morpholin-4-ylmethanone

C11H15NO2S — CID 39969379

IUPAC(2,5-dimethylthiophen-3-yl)-morpholin-4-ylmethanone
SMILESCc1cc(C(=O)N2CCOCC2)c(C)s1
InChIInChI=1S/C11H15NO2S/c1-8-7-10(9(2)15-8)11(13)12-3-5-14-6-4-12/h7H,3-6H2,1-2H3
InChIKeyXPKVYNRDNQKMOY-UHFFFAOYSA-N
MW225.31 g/mol
LogP1.84
Rot. Bonds1

About (2,5-dimethylthiophen-3-yl)-morpholin-4-ylmethanone

(2,5-dimethylthiophen-3-yl)-morpholin-4-ylmethanone (PubChem CID 39969379) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is (2,5-dimethylthiophen-3-yl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(2,5-dimethylthiophen-3-yl)-morpholin-4-ylmethanone
PubChem CID39969379
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC Name(2,5-dimethylthiophen-3-yl)-morpholin-4-ylmethanone
SMILESCc1cc(C(=O)N2CCOCC2)c(C)s1
InChIInChI=1S/C11H15NO2S/c1-8-7-10(9(2)15-8)11(13)12-3-5-14-6-4-12/h7H,3-6H2,1-2H3
InChIKeyXPKVYNRDNQKMOY-UHFFFAOYSA-N
XLogP1.84
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylthiophen-3-yl)-morpholin-4-ylmethanone?
The IUPAC name of (2,5-dimethylthiophen-3-yl)-morpholin-4-ylmethanone (CID 39969379) is (2,5-dimethylthiophen-3-yl)-morpholin-4-ylmethanone.
What is the SMILES notation for (2,5-dimethylthiophen-3-yl)-morpholin-4-ylmethanone?
The canonical SMILES for (2,5-dimethylthiophen-3-yl)-morpholin-4-ylmethanone is Cc1cc(C(=O)N2CCOCC2)c(C)s1.
What is the InChIKey of (2,5-dimethylthiophen-3-yl)-morpholin-4-ylmethanone?
The InChIKey is XPKVYNRDNQKMOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S/c1-8-7-10(9(2)15-8)11(13)12-3-5-14-6-4-12/h7H,3-6H2,1-2H3.
What are the key properties of (2,5-dimethylthiophen-3-yl)-morpholin-4-ylmethanone?
(2,5-dimethylthiophen-3-yl)-morpholin-4-ylmethanone has a molecular weight of 225.31 g/mol, XLogP of 1.84, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylthiophen-3-yl)-morpholin-4-ylmethanone is sourced from PubChem (CID 39969379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).